8JDD

Crystal structure of H405A mLDHD in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-17
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	80.970, 103.400, 122.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.750 - 1.550
R-factor	0.1712
Rwork	0.170
R-free	0.18690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.750	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.062	0.613
Rmeas	0.064	0.695
Rpim	0.018	0.314
Total number of observations	806063	21550
Number of reflections	73286	4764
<I/σ(I)>	21.4	2.7
Completeness [%]	98.5
Redundancy	11	4.5
CC(1/2)	0.999	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	4.0 M sodium formate